On Wed, Oct 13, 2010, 전종구 wrote:
> I'd like to obtain normal modes of a molecule with QM potential such
> as PM3 and SCC-DFTB, which sander program supports. However, from the
> manuals of Amber11 and AmberTools 1.4, I get the impression it may
> not be possible with nmode or NAB. Is there a way to do normal mode
> analysis with QM potential inside amber?
No, we don't (yet) support normal mode analysis with QM/MM.
...dac
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Received on Wed Oct 13 2010 - 06:00:03 PDT
